SCHEMBL170404

SCHEMBL170404

CCCCc1ccc2c(c1O)CC2C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.42
ALOX5 P09917 2/20 0.41
PTGS2 P35354 1/20 0.41
ELANE P08246 6/20 0.40
CTSG P08311 4/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 3/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IAPP P10997 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL982811 0.75 TYR (0.59) TYRALOX5PTGS2ELANECTSG
SCHEMBL5678235 0.72 TYR (0.66) TYRALOX5PTGS2ELANECTSG
SCHEMBL5676016 0.72 TYR (0.55) TYRALOX5PTGS2ELANECTSG
SCHEMBL201764 0.72 ALOX5 (0.61) TYRALOX5PTGS2ELANECTSG
SCHEMBL5676906 0.70 TYR (0.53) TYRALOX5PTGS2ELANECTSG
Hydrogen Sulfide SCHEMBL28293295 0.70 ALOX5 (0.59) TYRALOX5PTGS2ELANECTSG
SCHEMBL27606804 0.70 ALOX5 (0.47) TYRALOX5PTGS2ELANECTSG
SCHEMBL5677194 0.69 TYR (0.68) TYRALOX5PTGS2ELANECTSG
SCHEMBL5953563 0.69 ACHE (0.43) TYRELANECTSGMAOA
SCHEMBL1005744 0.69 TYR (0.56) TYRALOX5PTGS2ELANECTSG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120055080-A1 ANTIOXIDANT COMPOSITIONS USEFUL IN BIODIESEL AND OTHER FATTY ACID AND ACID ESTER COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-03-08 US disclosed